FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

Regnier, D.; Dubray, N.; Verri�re, M.; Schunck, N.

doi:10.1016/j.cpc.2017.12.007

Title: FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

Journal Article · Sun Apr 01 00:00:00 EDT 2018 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2017.12.007· OSTI ID:1463274

^[1]; Dubray, N. ^[2]; Verri�re, M. ^[2]; Schunck, N. ^[3]

Université Paris-Sud, Orsay Cedex, (France). Institut de Physique Nucléaire
CEA, DAM, DIF, Arpajon (France).
Lawrence Livermore National Laboratory. (LLNL), Livermore, CA (United States). Nuclear and Chemical Science Division

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the largeamplitude collective motion of quantum many-body systems such as atomic nuclei. Under the GaussianOverlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in amulti-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solvesthe collective Schrödinger equation in a finite element basis. This new version features: (i) the ability tosolve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) supportfor new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonianand overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylovapproximation of the time propagator for time integration instead of the implicit Crank–Nicolson methodimplemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on ananalytic problem as well as on realistic two-dimensional calculations of the low-energy fission of240Puand256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplexelements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectralelement method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fissionmass distributions of240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numericalprecision of a few percents).

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

DOE Contract Number:: AC52-07NA27344; AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1463274

Journal Information:: Computer Physics Communications, Vol. 225, Issue C; ISSN 0010-4655

Country of Publication:: United States

Language:: English

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FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation Regnier, D. Mendeley https://doi.org/10.17632/s5smj33tkj.1	dataset	January 2019
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FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation Regnier, D. Mendeley https://doi.org/10.17632/s5smj33tkj	dataset	January 2019

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Effect of shell structure on the fission of sub-lead nuclei Scamps, Guillaume; Simenel, Cédric Physical Review C, Vol. 100, Issue 4 https://doi.org/10.1103/physrevc.100.041602	journal	October 2019
Microscopic self-consistent description of induced fission dynamics: Finite-temperature effects Zhao, Jie; Nikšić, Tamara; Vretenar, Dario Physical Review C, Vol. 99, Issue 1 https://doi.org/10.1103/physrevc.99.014618	journal	January 2019
Time-dependent generator-coordinate-method study of mass-asymmetric fission of actinides Zhao, Jie; Xiang, Jian; Li, Zhi-Pan Physical Review C, Vol. 99, Issue 5 https://doi.org/10.1103/physrevc.99.054613	journal	May 2019
From asymmetric to symmetric fission in the fermium isotopes within the time-dependent generator-coordinate-method formalism Regnier, D.; Dubray, N.; Schunck, N. Physical Review C, Vol. 99, Issue 2 https://doi.org/10.1103/physrevc.99.024611	journal	February 2019
Number of particles in fission fragments Verriere, Marc; Schunck, Nicolas; Kawano, Toshihiko Physical Review C, Vol. 100, Issue 2 https://doi.org/10.1103/physrevc.100.024612	journal	August 2019
Microscopic self-consistent description of induced fission dynamics: finite temperature effects Zhao, Jie; Nikšić, Tamara; Vretenar, Dario arXiv https://doi.org/10.48550/arxiv.1809.06144	text	January 2018
Fission of $^{240}$Pu with symmetry-restored density functional theory Marević, Petar; Schunck, Nicolas arXiv https://doi.org/10.48550/arxiv.2004.10804	text	January 2020
Microscopic Calculation of Fission Product Yields with Particle Number Projection Verriere, Marc; Regnier, David; Schunck, Nicolas arXiv https://doi.org/10.48550/arxiv.2102.02346	text	January 2021

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